SCHEMBL808755

SCHEMBL808755

CCC(CC)(C(=O)N[C@@H](c1cccc2ccccc12)C(O)(c1ccc(C)cc1)c1ccc(C)cc1)C(=O)N[C@@H](c1cccc2ccccc12)C(O)(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4A O75164 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KCNJ11 Q14654 1/20 0.38
SCN2A Q99250 2/20 0.37
SCN5A Q14524 1/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
XBP1 P17861 1/20 0.37
HPGD P15428 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL808659 0.92 ALDH1A1 (0.40) ALDH1A1LMNAHTTHPGD
SCHEMBL808533 0.90 LMNA (0.42) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4345709 0.87 KCNJ11 (0.40) RAB9ANPC1MEN1KMT2AKDM4A
SCHEMBL808743 0.87 KCNJ11 (0.40) RAB9ANPC1MEN1KMT2AKDM4A
SCHEMBL808930 0.86 KCNJ11 (0.44) RAB9ANPC1MEN1KMT2AKDM4A
SCHEMBL4338111 0.86 MEN1 (0.41) RAB9ANPC1MEN1KMT2AKDM4A
SCHEMBL4340483 0.86 KCNJ11 (0.42) RAB9ANPC1MEN1KMT2AKDM4A
SCHEMBL808765 0.85 LMNA (0.39) RAB9ANPC1MEN1KMT2AKDM4A
SCHEMBL808597 0.83 ALDH1A1 (0.43) ALDH1A1LMNAHPGD
SCHEMBL808793 0.83 ALDH1A1 (0.40) ALDH1A1LMNAHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1593674-B1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-20 EP disclosed